A Novel Quinoline Inhibitor of the Canonical NF-κB Transcription Factor Pathway
Simple Summary
Abstract
1. Introduction
2. Materials and Methods
2.1. Quinolines
2.1.1. General Methods
2.1.2. Synthesis of the Novel Q3 Quinoline
2.2. Tissue Culture and Reagents
2.3. Luciferase Reporter Assay
2.4. Viability Assay
2.5. Western Blot
2.6. Immunocytochemistry
2.7. RNA Extraction and qPCR
2.8. In Silico Analysis
2.8.1. Molecular Docking
2.8.2. Molecular Dynamics
2.8.3. Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) Calculations
2.9. Statistical Analysis
3. Results
3.1. Successful Synthesis of 4-Hydroxy-N’-(4-Methoxybenzylidene)-1-Methyl-2-Oxo-1,2-Dihydroquinoline-3-Carbohydrazide (Q3)
3.2. Luciferase Assay Condition Set Up
3.3. Quinoline Q3 Inhibits NF-κB Activation in TNF-Induced HeLa/NF-κB-Luc Cells
3.4. Molecular Docking and Molecular Dynamics Analysis
3.5. MM/GBSA Calculations
4. Discussion
5. Conclusions
Supplementary Materials
Author Contributions
Funding
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Q1+NF-κB | Q3+NF-κB | Q1+complex | Q3+complex |
---|---|---|---|
−6.61 | −6.50 | −7.80 | −9.13 |
−6.20 | −5.62 | −7.57 | −8.69 |
−5.63 | −5.36 | −7.43 | −8.49 |
−5.49 | −5.34 | −7.43 | −8.17 |
−5.34 | −4.74 | −7.35 | −8.13 |
−5.31 | −4.73 | −7.32 | −7.56 |
−5.16 | −4.57 | −7.32 | −7.41 |
−5.10 | −4.49 | −7.19 | −7.19 |
−4.92 | −4.44 | −6.88 | −7.13 |
−4.92 | −4.34 | −5.93 | −7.11 |
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Ntavaroukas, P.; Michail, K.; Tsiakalidou, R.; Stampouloglou, E.; Tsiggene, K.; Komiotis, D.; Georgiou, N.; Mavromoustakos, T.; Manta, S.; Aje, D.; et al. A Novel Quinoline Inhibitor of the Canonical NF-κB Transcription Factor Pathway. Biology 2024, 13, 910. https://doi.org/10.3390/biology13110910
Ntavaroukas P, Michail K, Tsiakalidou R, Stampouloglou E, Tsiggene K, Komiotis D, Georgiou N, Mavromoustakos T, Manta S, Aje D, et al. A Novel Quinoline Inhibitor of the Canonical NF-κB Transcription Factor Pathway. Biology. 2024; 13(11):910. https://doi.org/10.3390/biology13110910
Chicago/Turabian StyleNtavaroukas, Panagiotis, Konstantinos Michail, Rafaela Tsiakalidou, Eleni Stampouloglou, Katerina Tsiggene, Dimitrios Komiotis, Nikitas Georgiou, Thomas Mavromoustakos, Stella Manta, Danielle Aje, and et al. 2024. "A Novel Quinoline Inhibitor of the Canonical NF-κB Transcription Factor Pathway" Biology 13, no. 11: 910. https://doi.org/10.3390/biology13110910